3-ethyl-4-prop-1-enylazetidin-2-one;1-methylazetidine

C12H22N2O — CID 91245189

IUPAC3-ethyl-4-prop-1-enylazetidin-2-one;1-methylazetidine
SMILESCC=CC1NC(=O)C1CC.CN1CCC1
InChIInChI=1S/C8H13NO.C4H9N/c1-3-5-7-6(4-2)8(10)9-7;1-5-3-2-4-5/h3,5-7H,4H2,1-2H3,(H,9,10);2-4H2,1H3
InChIKeyXRAGTKJGTRQUBL-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.41
Rot. Bonds2

About 3-ethyl-4-prop-1-enylazetidin-2-one;1-methylazetidine

3-ethyl-4-prop-1-enylazetidin-2-one;1-methylazetidine (PubChem CID 91245189) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-ethyl-4-prop-1-enylazetidin-2-one;1-methylazetidine.

Molecular Properties

Compound Name3-ethyl-4-prop-1-enylazetidin-2-one;1-methylazetidine
PubChem CID91245189
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-ethyl-4-prop-1-enylazetidin-2-one;1-methylazetidine
SMILESCC=CC1NC(=O)C1CC.CN1CCC1
InChIInChI=1S/C8H13NO.C4H9N/c1-3-5-7-6(4-2)8(10)9-7;1-5-3-2-4-5/h3,5-7H,4H2,1-2H3,(H,9,10);2-4H2,1H3
InChIKeyXRAGTKJGTRQUBL-UHFFFAOYSA-N
XLogP1.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-prop-1-enylazetidin-2-one;1-methylazetidine?
The IUPAC name of 3-ethyl-4-prop-1-enylazetidin-2-one;1-methylazetidine (CID 91245189) is 3-ethyl-4-prop-1-enylazetidin-2-one;1-methylazetidine.
What is the SMILES notation for 3-ethyl-4-prop-1-enylazetidin-2-one;1-methylazetidine?
The canonical SMILES for 3-ethyl-4-prop-1-enylazetidin-2-one;1-methylazetidine is CC=CC1NC(=O)C1CC.CN1CCC1.
What is the InChIKey of 3-ethyl-4-prop-1-enylazetidin-2-one;1-methylazetidine?
The InChIKey is XRAGTKJGTRQUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C4H9N/c1-3-5-7-6(4-2)8(10)9-7;1-5-3-2-4-5/h3,5-7H,4H2,1-2H3,(H,9,10);2-4H2,1H3.
What are the key properties of 3-ethyl-4-prop-1-enylazetidin-2-one;1-methylazetidine?
3-ethyl-4-prop-1-enylazetidin-2-one;1-methylazetidine has a molecular weight of 210.32 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-prop-1-enylazetidin-2-one;1-methylazetidine is sourced from PubChem (CID 91245189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).